About ChEMBL (bioactivity)
Find a molecule, then list its measured IC50, Ki and EC50 values with target, organism, assay and the source paper, most potent first. Curated mechanisms of action for approved drugs, and target search. The standard source for medicinal chemistry and SAR questions.
Questions you can ask ChEMBL
Type them into Kahubi’s chat once ChEMBL is connected.
“What are the most potent measured activities of celecoxib, and against which targets?”
What comes back: IC50 and Ki values with target, organism, assay description and the source paper.
“What is the mechanism of action of tirzepatide, and which indications has it reached in clinical trials?”
What comes back: Curated mechanisms with target and action type, plus indications with the highest clinical phase reached.
ChEMBL MCP tools
The 5 tools the ChEMBL server offers to Kahubi. The assistant picks the right one for each question.
chembl_search_moleculesFind molecules by name or synonym.
chembl_activitiesMeasured bioactivities of a molecule (IC50, Ki, EC50 …) with target, organism, assay description and source.
chembl_mechanismsCurated mechanisms of action for a drug: action type, target, references.
chembl_drug_indicationsIndications a drug has been approved for or trialled in, with the highest clinical phase per indication (4 = approved), MeSH and EFO terms, and the trial / label references behi...
chembl_search_targetsFind biological targets (proteins, complexes, organisms) by name.
Using ChEMBL in Kahubi
- Hosted by Kahubi. Kahubi runs this server itself so it stays reliable enough for research use.
- Cited, checkable answers. Results are treated as retrieved material and cited with the source’s own identifiers, so you can open every record the answer relied on.
- Your files stay private. Only the search the assistant writes for your question is sent to ChEMBL.
More chemistry & materials sources
- PubChemCompound identity, properties, similarity and substructure search, GHS safety data, from 119M compounds.
- ChEBI (chemical ontology)Curated dictionary of chemical entities: definitions, classes, roles and synonyms.
- OPSIN (name to structure)Turns a systematic IUPAC name into a structure by rule, also for compounds no database lists.
- Crystallography Open DatabaseOver 500,000 open-access crystal structures: organic, inorganic, metal-organic and minerals.
- Rhea (biochemical reactions)Expert-curated, balanced biochemical reactions linked to enzymes and ChEBI compounds.